==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-JAN-06 2FMP . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.K.BATRA,W.A.BEARD,D.D.SHOCK,J.M.KRAHN,L.C.PEDERSEN, . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 0 1 2 3 0 1 0 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 10 A T > 0 0 162 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 163.5 9.6 -15.8 12.7 2 11 A L T 3 + 0 0 97 1,-0.3 3,-0.1 36,-0.2 42,-0.1 0.761 360.0 14.1 -49.6 -43.3 11.2 -17.6 9.7 3 12 A N T 3> S+ 0 0 12 35,-0.1 4,-2.4 40,-0.1 3,-0.3 -0.108 85.8 135.5-129.4 40.5 14.5 -15.7 9.8 4 13 A G H <> + 0 0 11 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.774 67.1 56.5 -60.7 -36.3 14.1 -14.1 13.2 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.927 111.7 44.3 -62.2 -45.2 17.6 -14.8 14.4 6 15 A I H > S+ 0 0 4 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.930 114.8 46.2 -63.6 -50.2 19.0 -13.0 11.5 7 16 A T H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.917 111.1 53.3 -65.2 -36.8 16.6 -10.0 11.7 8 17 A D H X S+ 0 0 114 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.936 109.4 49.4 -61.2 -42.0 17.2 -9.7 15.4 9 18 A M H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.927 112.3 47.3 -62.3 -43.2 21.0 -9.6 14.8 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.870 110.4 51.4 -70.4 -36.2 20.6 -6.9 12.2 11 20 A T H X S+ 0 0 57 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.876 109.5 50.2 -65.0 -40.3 18.3 -4.8 14.3 12 21 A E H X S+ 0 0 60 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.917 111.4 49.0 -66.2 -38.9 20.7 -4.9 17.2 13 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 110.0 52.2 -64.9 -40.2 23.5 -3.8 14.9 14 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.936 109.5 48.8 -60.4 -45.7 21.3 -1.0 13.6 15 24 A N H X S+ 0 0 64 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.896 109.8 52.0 -63.9 -37.0 20.6 0.2 17.1 16 25 A F H X>S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 5,-1.8 0.932 110.2 48.5 -64.2 -46.2 24.3 0.1 17.9 17 26 A E H <>S+ 0 0 8 -4,-2.5 6,-2.7 3,-0.2 5,-0.8 0.928 117.2 41.8 -63.3 -38.3 25.1 2.2 14.8 18 27 A K H <5S+ 0 0 76 -4,-2.6 -2,-0.2 4,-0.2 -1,-0.2 0.959 125.1 32.1 -72.3 -46.3 22.4 4.8 15.6 19 28 A N H <5S+ 0 0 20 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.859 133.5 19.7 -83.1 -37.6 23.0 5.0 19.4 20 29 A V T <5S+ 0 0 12 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.891 130.8 36.1 -99.0 -57.1 26.7 4.5 19.8 21 30 A S T > + 0 0 30 -6,-2.7 4,-1.9 1,-0.1 3,-1.0 -0.787 26.4 179.9-118.5 84.6 26.1 6.6 12.1 24 33 A I H 3> S+ 0 0 76 -2,-0.5 4,-2.4 1,-0.3 5,-0.1 0.776 76.8 55.9 -61.5 -31.0 22.5 7.1 10.8 25 34 A H H 3> S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.809 108.7 48.0 -75.1 -23.3 23.1 5.7 7.3 26 35 A K H <> S+ 0 0 118 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.872 110.0 53.5 -78.4 -39.3 24.4 2.4 8.7 27 36 A Y H X S+ 0 0 30 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.958 112.7 44.0 -57.2 -48.3 21.4 2.3 11.1 28 37 A N H X S+ 0 0 34 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.868 111.8 53.0 -67.0 -34.9 19.1 2.8 8.1 29 38 A A H X S+ 0 0 51 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.926 110.4 47.0 -66.4 -46.7 21.0 0.2 6.0 30 39 A Y H X S+ 0 0 22 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.895 113.5 48.2 -61.8 -42.5 20.8 -2.4 8.7 31 40 A R H X S+ 0 0 54 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.891 110.0 52.3 -65.8 -36.0 17.0 -1.8 9.2 32 41 A K H X S+ 0 0 98 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.914 112.0 46.3 -66.2 -39.1 16.4 -1.9 5.4 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 22,-0.3 5,-0.2 0.911 111.3 51.0 -69.1 -42.5 18.2 -5.3 5.2 34 43 A A H X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.910 110.3 51.7 -60.1 -40.9 16.3 -6.6 8.2 35 44 A S H X S+ 0 0 13 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.924 110.2 45.4 -64.8 -45.3 13.0 -5.6 6.6 36 45 A V H X S+ 0 0 12 -4,-2.2 4,-0.6 1,-0.2 3,-0.2 0.891 114.6 49.6 -70.0 -30.7 13.6 -7.2 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.894 104.5 59.5 -71.9 -39.4 14.8 -10.4 5.0 38 47 A A H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 108.9 43.2 -59.7 -32.3 11.7 -10.4 7.3 39 48 A K H 3< S+ 0 0 131 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.549 85.0 111.7 -92.9 -3.4 9.4 -10.6 4.3 40 49 A Y << - 0 0 50 -3,-1.0 4,-0.1 -4,-0.6 -37,-0.1 -0.516 64.2-143.4 -70.5 125.2 11.4 -13.2 2.4 41 50 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.210 70.9 74.1 -81.3 22.5 9.3 -16.5 2.4 42 51 A H S S- 0 0 110 -39,-0.0 2,-0.7 0, 0.0 -2,-0.1 -0.950 86.3-110.5-131.7 149.5 12.2 -19.0 2.8 43 52 A K - 0 0 156 -2,-0.3 -40,-0.1 1,-0.1 2,-0.1 -0.711 48.7-120.0 -75.9 115.1 14.4 -20.0 5.8 44 53 A I - 0 0 4 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.340 30.8-175.6 -65.2 131.0 17.7 -18.6 4.6 45 54 A K + 0 0 175 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.566 63.8 10.2 -98.0 -19.7 20.6 -21.0 4.2 46 55 A S > - 0 0 35 1,-0.1 4,-1.9 22,-0.0 -1,-0.2 -0.993 65.3-113.5-157.3 164.2 23.5 -18.6 3.3 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.866 117.3 58.9 -66.3 -35.4 24.7 -15.1 3.1 48 57 A A H > S+ 0 0 64 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.897 104.8 49.2 -61.9 -38.8 24.9 -15.6 -0.7 49 58 A E H >4 S+ 0 0 35 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.930 113.5 46.2 -65.9 -44.6 21.1 -16.4 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 6,-0.2 0.854 100.7 67.8 -66.3 -33.4 20.4 -13.3 1.3 51 60 A K H 3< S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 5,-0.2 0.749 85.9 70.7 -61.8 -19.2 22.7 -11.1 -0.8 52 61 A K T << S+ 0 0 181 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.757 83.9 88.7 -69.4 -18.4 20.2 -11.6 -3.7 53 62 A L S X S- 0 0 26 -3,-2.1 3,-1.7 -4,-0.3 2,-0.4 -0.515 92.4-104.4 -82.9 142.9 17.8 -9.4 -1.8 54 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.515 107.8 26.7 -69.1 120.2 17.9 -5.6 -2.3 55 64 A G T 3 S+ 0 0 35 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.172 96.1 103.0 113.6 -15.1 19.5 -3.9 0.7 56 65 A V < + 0 0 8 -3,-1.7 -1,-0.3 -6,-0.2 2,-0.1 -0.906 50.3 172.3-104.0 118.7 21.6 -6.9 1.7 57 66 A G > - 0 0 31 -2,-0.6 4,-2.1 -3,-0.1 5,-0.2 -0.257 47.5 -71.2-109.3-162.1 25.3 -6.5 0.7 58 67 A T H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.901 125.1 48.0 -61.8 -42.8 28.6 -8.2 1.1 59 68 A K H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 113.4 45.5 -71.9 -41.7 29.1 -7.3 4.7 60 69 A I H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.894 110.9 55.0 -69.0 -34.0 25.7 -8.4 5.9 61 70 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -14,-0.2 0.929 107.2 50.7 -64.0 -39.5 26.0 -11.6 3.9 62 71 A E H X S+ 0 0 118 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.918 110.8 48.8 -62.0 -40.6 29.3 -12.3 5.7 63 72 A K H X S+ 0 0 24 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.871 108.6 52.8 -67.9 -37.5 27.5 -11.7 9.0 64 73 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.909 107.3 52.5 -64.6 -39.3 24.6 -14.0 8.0 65 74 A D H X S+ 0 0 76 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.942 112.3 45.1 -64.0 -40.8 27.2 -16.8 7.2 66 75 A E H X S+ 0 0 40 -4,-2.1 4,-2.4 1,-0.2 6,-0.5 0.922 114.3 49.1 -67.2 -41.9 28.8 -16.4 10.7 67 76 A F H X S+ 0 0 44 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.906 112.2 47.0 -65.3 -40.0 25.4 -16.3 12.4 68 77 A L H < S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.6 45.9 -69.2 -37.1 24.1 -19.4 10.6 69 78 A A H < S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.864 132.3 15.3 -74.3 -33.0 27.2 -21.4 11.3 70 79 A T H < S- 0 0 86 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.2 0.612 89.1-123.0-120.3 -15.8 27.5 -20.5 15.0 71 80 A G S < S+ 0 0 46 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.2 0.520 87.5 67.3 80.8 5.2 24.3 -19.0 16.2 72 81 A K S S- 0 0 129 -6,-0.5 2,-0.4 -5,-0.0 -2,-0.3 -0.899 72.0-131.8-144.8 176.1 26.2 -15.8 17.3 73 82 A L >> - 0 0 6 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.974 11.1-150.5-137.1 114.0 28.1 -12.9 15.9 74 83 A R H 3> S+ 0 0 182 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.888 96.7 59.7 -50.8 -41.6 31.4 -12.0 17.4 75 84 A K H 3> S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 109.6 41.6 -55.9 -44.5 31.0 -8.3 16.6 76 85 A L H <> S+ 0 0 7 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.882 109.2 59.2 -72.1 -36.1 27.8 -8.2 18.7 77 86 A E H X S+ 0 0 65 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.920 109.9 43.9 -60.5 -36.0 29.3 -10.3 21.5 78 87 A K H >X S+ 0 0 168 -4,-2.4 3,-0.7 2,-0.2 4,-0.6 0.899 111.3 52.7 -74.3 -38.4 32.0 -7.7 21.9 79 88 A I H >< S+ 0 0 19 -4,-1.7 3,-1.3 1,-0.2 7,-0.2 0.914 106.1 54.9 -62.4 -40.2 29.6 -4.8 21.7 80 89 A R H 3< S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.723 106.3 52.3 -65.3 -24.5 27.5 -6.3 24.5 81 90 A Q H << S+ 0 0 145 -4,-0.7 2,-0.7 -3,-0.7 -1,-0.3 0.522 85.7 100.9 -89.3 -8.3 30.6 -6.5 26.7 82 91 A D S+ 0 0 128 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.895 91.9 50.2 -58.1 -47.2 30.3 -0.8 29.2 84 93 A T H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.940 113.2 46.7 -60.4 -43.5 30.1 2.5 27.4 85 94 A S H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.928 113.2 49.6 -64.0 -40.8 28.0 0.9 24.6 86 95 A S H X S+ 0 0 51 -4,-2.7 4,-1.8 -7,-0.2 -2,-0.2 0.894 111.9 47.9 -63.8 -41.8 25.8 -0.8 27.2 87 96 A S H X S+ 0 0 18 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.906 114.4 45.3 -65.8 -45.1 25.2 2.4 29.1 88 97 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.922 111.4 52.7 -66.2 -43.2 24.4 4.4 26.0 89 98 A N H < S+ 0 0 44 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.876 112.2 46.7 -61.9 -35.5 22.1 1.7 24.7 90 99 A F H >< S+ 0 0 42 -4,-1.8 3,-1.9 -5,-0.2 4,-0.3 0.957 110.5 50.2 -69.5 -50.0 20.2 1.7 28.0 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 6,-0.2 0.851 102.3 60.9 -58.8 -36.4 19.8 5.5 28.3 92 101 A T T 3< S+ 0 0 24 -4,-2.2 -1,-0.3 1,-0.3 4,-0.2 0.573 87.1 75.6 -69.2 -7.5 18.5 5.9 24.8 93 102 A R T < S+ 0 0 123 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.629 78.0 89.4 -77.7 -10.8 15.5 3.7 25.7 94 103 A V S X S- 0 0 3 -3,-1.8 3,-2.1 -4,-0.3 2,-0.2 -0.732 93.5-111.8 -85.4 129.5 14.1 6.7 27.7 95 104 A S T 3 S+ 0 0 35 -2,-0.4 35,-0.4 35,-0.3 36,-0.2 -0.453 104.6 25.4 -62.5 129.1 11.9 8.8 25.4 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.189 96.8 102.8 103.1 -19.6 13.7 12.1 24.9 97 106 A I < + 0 0 6 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.909 50.0 173.6-100.5 111.0 17.2 10.8 25.4 98 107 A G > - 0 0 28 -2,-0.7 4,-2.6 -3,-0.1 5,-0.2 -0.418 50.3 -75.1-102.6-169.3 18.9 10.3 22.1 99 108 A P H > S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.868 128.1 47.7 -55.4 -43.2 22.5 9.4 21.1 100 109 A S H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.959 115.0 42.3 -66.6 -53.2 24.0 12.8 22.0 101 110 A A H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 111.9 57.1 -63.3 -35.6 22.3 13.2 25.4 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.955 108.6 44.6 -61.7 -44.0 23.1 9.6 26.3 103 112 A R H X S+ 0 0 84 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.901 113.8 50.9 -68.7 -35.9 26.8 9.9 25.8 104 113 A K H X S+ 0 0 119 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.907 109.6 50.0 -68.3 -41.8 26.8 13.3 27.7 105 114 A F H <>S+ 0 0 15 -4,-2.8 5,-3.0 1,-0.2 3,-0.3 0.924 109.1 51.8 -62.6 -44.2 24.9 11.7 30.7 106 115 A V H ><5S+ 0 0 16 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.935 107.3 53.3 -58.2 -41.9 27.4 8.8 30.7 107 116 A D H 3<5S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.9 48.7 -59.0 -34.7 30.3 11.4 30.8 108 117 A E T 3<5S- 0 0 79 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.296 123.1-105.7 -89.1 6.8 28.6 13.0 33.8 109 118 A G T < 5S+ 0 0 42 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.731 80.4 128.9 77.1 19.6 28.2 9.7 35.6 110 119 A I < + 0 0 5 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.928 21.8 128.7-107.1 106.6 24.4 9.3 35.0 111 120 A K + 0 0 88 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.360 49.4 58.5-144.4 7.5 24.1 5.8 33.5 112 121 A T S > S- 0 0 53 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.895 83.8-106.1-132.4 171.0 21.5 3.7 35.3 113 122 A L H > S+ 0 0 33 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.892 122.6 53.9 -64.0 -39.7 17.8 4.0 36.1 114 123 A E H > S+ 0 0 118 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.904 106.8 51.6 -61.2 -40.0 18.7 4.8 39.7 115 124 A D H >4 S+ 0 0 32 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.947 111.2 47.4 -61.9 -46.9 21.0 7.6 38.5 116 125 A L H >< S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.908 106.0 60.0 -60.4 -40.3 18.2 9.0 36.4 117 126 A R H 3< S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.582 110.2 39.5 -68.1 -11.6 15.7 8.8 39.3 118 127 A K T << S+ 0 0 156 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.296 114.3 56.1-116.7 6.5 17.7 11.0 41.6 119 128 A N X + 0 0 36 -3,-1.4 3,-2.3 -4,-0.4 4,-0.2 -0.093 57.0 132.1-127.7 35.9 18.6 13.4 38.9 120 129 A E G > + 0 0 77 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.818 69.8 65.9 -57.9 -31.5 15.3 14.5 37.4 121 130 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.608 96.0 56.9 -69.7 -5.5 16.5 18.1 37.6 122 131 A K G < S+ 0 0 106 -3,-2.3 2,-0.3 -6,-0.2 -1,-0.3 0.386 96.7 82.2-100.1 -1.5 19.1 17.3 35.0 123 132 A L S < S- 0 0 19 -3,-1.9 2,-0.1 -4,-0.2 -26,-0.0 -0.754 77.5-126.2-102.5 150.8 16.4 16.1 32.5 124 133 A N > - 0 0 87 -2,-0.3 4,-2.4 -28,-0.1 5,-0.2 -0.327 41.6 -90.4 -84.1 177.2 14.3 18.3 30.2 125 134 A H H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.903 126.3 48.1 -56.5 -47.0 10.5 18.0 30.3 126 135 A H H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 113.0 47.6 -58.8 -49.9 10.3 15.3 27.7 127 136 A Q H > S+ 0 0 16 -31,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.848 108.4 55.7 -60.8 -39.1 13.0 13.2 29.3 128 137 A R H X S+ 0 0 121 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.914 111.0 43.0 -62.7 -41.2 11.4 13.5 32.7 129 138 A I H X S+ 0 0 14 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.866 111.7 55.6 -72.0 -35.6 8.1 12.1 31.4 130 139 A G H < S+ 0 0 0 -4,-2.4 -35,-0.3 -35,-0.4 -2,-0.2 0.873 110.1 45.9 -63.1 -36.5 10.0 9.5 29.5 131 140 A L H >< S+ 0 0 10 -4,-2.2 3,-1.8 2,-0.2 4,-0.3 0.934 107.8 56.9 -72.1 -42.7 11.7 8.4 32.7 132 141 A K H 3< S+ 0 0 124 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.869 119.1 31.7 -55.7 -38.4 8.3 8.4 34.7 133 142 A Y T 3X S+ 0 0 19 -4,-1.9 4,-2.8 1,-0.2 -1,-0.3 -0.006 79.3 131.3-113.0 33.2 6.8 6.0 32.2 134 143 A F H <> S+ 0 0 29 -3,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.910 80.6 36.6 -49.5 -56.8 10.0 4.0 31.3 135 144 A G H >4 S+ 0 0 42 -4,-0.3 3,-1.2 -3,-0.2 4,-0.5 0.936 115.3 52.7 -67.0 -45.0 8.4 0.6 31.8 136 145 A D H >4 S+ 0 0 40 1,-0.3 3,-1.4 2,-0.2 -2,-0.2 0.874 104.1 58.5 -58.2 -38.7 5.0 1.5 30.5 137 146 A F H 3< S+ 0 0 40 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.687 101.3 54.6 -69.8 -15.3 6.4 2.8 27.2 138 147 A E T << S+ 0 0 92 -3,-1.2 -1,-0.3 -4,-0.6 2,-0.2 0.536 90.0 95.1 -93.7 -1.6 8.1 -0.5 26.4 139 148 A K S < S- 0 0 108 -3,-1.4 2,-0.2 -4,-0.5 -3,-0.0 -0.595 73.9-128.7 -86.4 144.4 4.8 -2.4 26.7 140 149 A R - 0 0 139 -2,-0.2 40,-0.2 104,-0.1 -2,-0.1 -0.516 16.7-121.7 -86.5 164.1 2.8 -3.0 23.5 141 150 A I E -A 179 0A 0 38,-3.3 38,-2.3 -2,-0.2 40,-0.1 -0.910 20.9-132.2-111.7 117.7 -0.9 -2.2 23.1 142 151 A P E >> -A 178 0A 55 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.361 23.7-117.0 -63.2 150.0 -3.3 -5.1 22.3 143 152 A R H 3> S+ 0 0 59 34,-2.2 4,-2.5 1,-0.3 5,-0.2 0.858 114.0 62.1 -58.3 -33.7 -5.7 -4.3 19.4 144 153 A E H 3> S+ 0 0 158 1,-0.2 4,-1.6 33,-0.2 -1,-0.3 0.901 107.6 44.2 -58.8 -40.0 -8.7 -4.6 21.8 145 154 A E H <> S+ 0 0 30 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.871 108.9 56.3 -71.1 -38.6 -7.3 -1.7 23.8 146 155 A M H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.888 106.4 51.9 -59.5 -35.9 -6.5 0.2 20.6 147 156 A L H X S+ 0 0 79 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.902 109.5 48.4 -67.7 -38.6 -10.2 -0.1 19.7 148 157 A Q H X S+ 0 0 73 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.903 113.0 48.4 -65.8 -40.0 -11.3 1.2 23.1 149 158 A M H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.902 109.0 53.2 -67.3 -40.1 -8.8 4.2 22.7 150 159 A Q H X S+ 0 0 45 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.927 107.1 52.8 -61.0 -43.4 -10.2 4.8 19.2 151 160 A D H X S+ 0 0 100 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.927 111.0 46.0 -58.7 -47.0 -13.7 5.0 20.6 152 161 A I H X S+ 0 0 40 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.949 115.0 46.3 -63.0 -48.2 -12.8 7.6 23.2 153 162 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.952 115.3 44.8 -62.0 -49.0 -10.8 9.7 20.8 154 163 A L H X S+ 0 0 60 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.923 116.4 46.6 -64.1 -41.2 -13.4 9.7 18.0 155 164 A N H X S+ 0 0 72 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.881 114.1 46.5 -69.8 -35.8 -16.3 10.3 20.4 156 165 A E H X S+ 0 0 21 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.870 110.7 52.2 -73.3 -34.4 -14.5 13.1 22.3 157 166 A V H X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.3 3,-0.5 0.924 107.3 54.3 -65.4 -39.7 -13.4 14.8 19.1 158 167 A K H < S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 103.7 55.7 -60.4 -39.9 -17.1 14.7 18.0 159 168 A K H < S+ 0 0 140 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.834 106.7 50.0 -63.8 -32.4 -18.2 16.5 21.1 160 169 A V H < S- 0 0 40 -4,-1.3 2,-0.3 -3,-0.5 -2,-0.2 0.942 138.5 -20.0 -70.9 -47.6 -15.8 19.4 20.4 161 170 A D >< - 0 0 40 -4,-1.9 3,-1.8 3,-0.0 -1,-0.3 -0.847 52.8-142.8-164.7 120.1 -17.0 19.8 16.8 162 171 A S T 3 S+ 0 0 97 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.582 98.1 69.0 -62.9 -11.2 -18.9 17.3 14.7 163 172 A E T 3 S+ 0 0 112 -5,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.605 76.5 95.9 -85.4 -13.4 -16.9 18.5 11.7 164 173 A Y < - 0 0 12 -3,-1.8 2,-0.4 -7,-0.2 24,-0.2 -0.479 60.3-157.1 -69.3 152.3 -13.6 17.1 12.8 165 174 A I E -B 187 0B 83 22,-1.9 22,-1.9 -2,-0.1 2,-0.5 -0.996 6.0-166.5-131.4 120.5 -12.6 13.7 11.4 166 175 A A E -B 186 0B 12 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.955 4.1-171.8-109.7 133.5 -10.1 11.7 13.5 167 176 A T E -B 185 0B 29 18,-2.9 18,-3.1 -2,-0.5 2,-0.5 -0.983 20.4-134.9-128.5 123.1 -8.4 8.7 11.8 168 177 A V E +B 184 0B 7 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.648 38.0 166.9 -79.5 122.6 -6.2 6.3 13.7 169 178 A C >> + 0 0 0 14,-2.6 4,-1.3 -2,-0.5 3,-0.8 0.139 28.6 67.3-110.3-138.1 -3.2 5.6 11.6 170 179 A G H >> S- 0 0 6 93,-2.1 4,-1.3 1,-0.2 3,-0.7 -0.044 115.8 -20.0 53.8-155.7 0.2 3.9 12.2 171 180 A S H 34>S+ 0 0 16 1,-0.2 5,-2.3 2,-0.2 -1,-0.2 0.807 134.9 64.9 -54.2 -33.3 0.4 0.2 12.9 172 181 A F H X45S+ 0 0 14 -3,-0.8 3,-1.7 1,-0.2 -1,-0.2 0.936 101.9 46.5 -57.3 -45.3 -3.3 0.2 13.8 173 182 A R H <<5S+ 0 0 66 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.790 105.8 61.0 -70.5 -24.9 -4.4 1.2 10.3 174 183 A R T 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.392 121.6-109.9 -81.4 5.2 -2.1 -1.5 8.9 175 184 A G T < 5 + 0 0 40 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.623 54.4 172.1 79.3 18.6 -4.2 -4.0 10.9 176 185 A A < - 0 0 26 -5,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.260 35.0-142.0 -63.6 141.5 -1.5 -4.9 13.5 177 186 A E S S+ 0 0 154 1,-0.2 -34,-2.2 -35,-0.1 2,-0.3 0.651 91.6 24.6 -76.7 -18.4 -2.7 -7.1 16.4 178 187 A S E S-A 142 0A 44 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.990 73.9-161.8-143.2 147.4 -0.5 -5.1 18.7 179 188 A S E -A 141 0A 0 -38,-2.3 -38,-3.3 -2,-0.3 3,-0.1 -0.891 23.4-137.7-128.6 155.5 0.8 -1.5 18.4 180 189 A G S S- 0 0 38 -2,-0.3 65,-0.4 -40,-0.2 2,-0.2 0.789 83.5 -26.8 -80.2 -27.0 3.6 0.4 20.1 181 190 A D S S- 0 0 36 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.878 74.5 -80.2-165.0-170.6 1.5 3.5 20.5 182 191 A M E - c 0 246B 1 63,-2.2 65,-2.5 -2,-0.2 2,-0.5 -0.962 31.7-169.1-118.5 123.9 -1.5 5.5 19.1 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.6 -14,-0.3 2,-0.5 -0.934 7.7-171.7-112.1 122.8 -1.2 7.7 16.0 184 193 A V E -Bc 168 248B 2 63,-2.9 65,-2.7 -2,-0.5 2,-0.4 -0.977 11.0-158.5-124.5 120.5 -4.2 10.0 15.2 185 194 A L E -Bc 167 249B 1 -18,-3.1 -18,-2.9 -2,-0.5 2,-0.4 -0.827 18.3-165.3 -91.1 134.9 -4.6 12.1 12.0 186 195 A L E +Bc 166 250B 1 63,-2.9 65,-2.5 -2,-0.4 2,-0.3 -0.966 11.9 177.8-127.9 137.6 -7.0 15.0 12.5 187 196 A T E -B 165 0B 4 -22,-1.9 -22,-1.9 -2,-0.4 5,-0.1 -0.952 5.9-178.7-132.6 157.7 -8.7 17.2 10.0 188 197 A H > - 0 0 0 3,-0.4 3,-2.2 63,-0.3 65,-0.5 -0.950 35.7-123.1-152.3 134.8 -11.3 20.1 10.3 189 198 A P T 3 S+ 0 0 47 0, 0.0 65,-0.1 0, 0.0 8,-0.1 0.722 107.4 67.1 -55.5 -21.5 -12.8 22.0 7.3 190 199 A S T 3 S+ 0 0 17 1,-0.1 7,-3.1 6,-0.1 2,-0.6 0.696 93.8 62.5 -73.6 -17.3 -11.5 25.3 8.7 191 200 A F B < +F 196 0C 29 -3,-2.2 62,-2.5 5,-0.2 -3,-0.4 -0.928 67.8 145.9-114.0 108.1 -7.8 24.3 8.2 192 201 A T - 0 0 36 3,-2.9 3,-0.1 -2,-0.6 -2,-0.0 -0.773 65.1 -95.2-130.9 175.6 -6.9 23.7 4.5 193 202 A S S S+ 0 0 70 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.678 125.3 50.3 -66.8 -16.0 -3.9 24.3 2.4 194 203 A E S S- 0 0 146 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.764 123.1 -14.8 -92.2 -32.1 -5.4 27.7 1.4 195 204 A S - 0 0 31 -3,-0.1 -3,-2.9 0, 0.0 2,-0.6 -0.995 45.2-127.3-168.2 164.0 -6.2 29.0 4.9 196 205 A T B +F 191 0C 89 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.952 27.4 175.6-119.3 105.2 -6.7 28.5 8.6 197 206 A K + 0 0 159 -7,-3.1 -6,-0.1 -2,-0.6 -1,-0.1 0.518 66.5 38.9 -91.4 -7.9 -10.2 29.9 9.5 198 207 A Q S S- 0 0 65 -8,-0.3 3,-0.4 0, 0.0 -1,-0.1 -0.993 76.6-138.7-142.6 132.2 -10.3 29.0 13.1 199 208 A P S S+ 0 0 94 0, 0.0 -2,-0.0 0, 0.0 -9,-0.0 -0.337 79.6 31.2 -85.0 171.2 -7.4 29.1 15.6 200 209 A K > + 0 0 128 1,-0.1 4,-2.7 3,-0.1 5,-0.2 0.725 66.9 148.3 56.8 30.6 -6.6 26.4 18.3 201 210 A L H > S+ 0 0 6 -3,-0.4 4,-0.8 2,-0.2 -1,-0.1 0.930 78.7 34.2 -62.1 -44.1 -8.0 23.5 16.2 202 211 A L H >> S+ 0 0 2 21,-0.4 4,-2.4 2,-0.2 3,-0.6 0.918 115.9 58.0 -75.3 -42.4 -5.5 21.0 17.7 203 212 A H H 3> S+ 0 0 73 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.909 101.9 53.1 -53.4 -45.4 -5.5 22.7 21.1 204 213 A Q H 3X S+ 0 0 71 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.816 111.3 47.3 -61.1 -35.0 -9.3 22.3 21.6 205 214 A V H S+ 0 0 1 -4,-2.3 5,-2.4 1,-0.2 6,-1.9 0.802 111.9 48.1 -67.8 -28.7 -9.0 14.7 25.9 210 219 A Q H ><5S+ 0 0 79 -4,-1.8 3,-1.5 4,-0.2 -1,-0.2 0.857 105.5 59.0 -76.3 -36.1 -7.3 16.1 29.0 211 220 A K H 3<5S+ 0 0 137 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.852 108.1 44.1 -61.3 -36.8 -10.6 17.1 30.5 212 221 A V T 3<5S- 0 0 55 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.264 118.2-115.0 -92.0 10.7 -11.9 13.5 30.4 213 222 A H T < 5S+ 0 0 149 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.705 84.5 118.8 63.7 25.7 -8.5 12.4 31.7 214 223 A F S - 0 0 166 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 -0.231 53.9 -58.4 -81.1 175.3 -13.2 0.1 36.2 236 245 A N T 3 S+ 0 0 161 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.310 124.1 0.5 -58.4 132.4 -13.8 -0.2 39.9 237 246 A D T 3 S+ 0 0 181 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.332 101.4 134.4 70.4 -2.5 -11.2 -2.3 41.7 238 247 A E < - 0 0 86 -3,-1.8 -1,-0.2 1,-0.1 -4,-0.1 -0.508 63.5-111.5 -81.1 138.9 -9.4 -2.9 38.3 239 248 A K - 0 0 190 -2,-0.2 -4,-0.2 1,-0.1 -1,-0.1 -0.392 46.5 -98.6 -62.4 146.9 -5.7 -2.5 38.0 240 249 A E - 0 0 123 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